5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole

C16H14N2O — CID 57232004

IUPAC5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
SMILESCOc1ccc(-c2ccccc2-c2ccn[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)14-4-2-3-5-15(14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyZSHJHGICQALOIY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.75
Rot. Bonds3

About 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole

5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole (PubChem CID 57232004) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
PubChem CID57232004
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole
SMILESCOc1ccc(-c2ccccc2-c2ccn[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)14-4-2-3-5-15(14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyZSHJHGICQALOIY-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
2-[2-(4-methoxyphenyl)phenyl]-1H-imidazole
CID 11736810
2-[2-(4-methoxyphenyl)phenyl]-5-methylpyrimidine
CID 102587488
5-(1-methoxynaphthalen-2-yl)-1H-pyrazole
CID 10376338
5-(5-methoxy-2-phenylmethoxyphenyl)-1H-pyrazole
CID 57432903
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
6-methoxy-3-(1H-pyrazol-5-yl)quinoline
CID 50962357
4-[2-(4-methoxyphenyl)phenyl]-1,3,2-dithiazole
CID 91574960
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole (CID 57232004) is 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole is COc1ccc(-c2ccccc2-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole?
The InChIKey is ZSHJHGICQALOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)14-4-2-3-5-15(14)16-10-11-17-18-16/h2-11H,1H3,(H,17,18).
What are the key properties of 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole?
5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole has a molecular weight of 250.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 57232004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).